compound 11 [PMID: 20638279]   Click here for help

GtoPdb Ligand ID: 6235

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 51.8
Molecular weight 197.1
XLogP 1.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nccc(n1)C=Cc1ccccc1
Isomeric SMILES Nc1nccc(n1)/C=C/c1ccccc1
InChI InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChI Key LNUXNUNUGIHCPA-VOTSOKGWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
Database Links Click here for help
ChEMBL Ligand CHEMBL1209431
GtoPdb PubChem SID 178102856
PubChem CID 46911068
Search Google for chemical match using the InChIKey LNUXNUNUGIHCPA-VOTSOKGWSA-N
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UniChem Compound Search for chemical match using the InChIKey LNUXNUNUGIHCPA-VOTSOKGWSA-N
UniChem Connectivity Search for chemical match using the InChIKey LNUXNUNUGIHCPA-VOTSOKGWSA-N

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Tocris
TCN 238
Cat. No. 4259